Geometry & MOs

Info

ID:	72553
PubChem CID:	48416298
Reduced:	O3N5C18H31 (1)
Stoich.:	A3B5C18D31 (1)
Weight, g/mol:	411.22704
ΔH_f, kcal/mol:	-165.53
Dipole, Da:	6.07
IP(EA), eV:	-9.18(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)NCCC(=O)N2CCCC(C2)N3CCNC3=O

DOS

IR

Vibrations